2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide

C16H30N4O — CID 61490053

IUPAC2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyGVRKLYXWZVJJRK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.30
Rot. Bonds8

About 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide

2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 61490053) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID61490053
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21)
InChIKeyGVRKLYXWZVJJRK-UHFFFAOYSA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide (CID 61490053) is 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1nc(C)c(CNC(C)C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is GVRKLYXWZVJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-8-12(4)18-16(21)10-20-14(6)15(13(5)19-20)9-17-11(2)3/h11-12,17H,7-10H2,1-6H3,(H,18,21).
What are the key properties of 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide?
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 294.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).